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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008726

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.76
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B,C,D3EUI0.75
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B3EQW0.75
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.76
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.75
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL		A1HBJ0.71
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE		A1E660.8
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE		A2CKM0.83
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.74
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.74
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.74
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.74
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.76
NCJ3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridineA,B3ERU0.76
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.71
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE		A2GYX0.75
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.76
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE		A2B530.74
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.71
BRA9-[4-(n,n-dimethylamino)phenylamino]-
3,6-bis(3-pyrrolidinopropionamido) acridine		A3CE50.74
LL13-pyridin-4-yl-1H-indazoleA3DNE0.72
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.7
THATACRINEA,B2AOW0.94
THATACRINEA,B,C,D,E,F1MX10.94
THATACRINEA,B2AOX0.94
THATACRINEA1ACJ0.94
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.76
INDINDOLEA1L4H0.73
INDINDOLEA,B,G1O7N0.73
INDINDOLEA185L0.73
INDINDOLEA,B1EG90.73
INDINDOLEA,B1UUV0.73
INDINDOLEA,C,E2B240.73
INDINDOLEA,B,C,D,E,F2P850.73
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.86
TQ35-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINEA,B1IA10.72
PRLPROFLAVINH,I1BCU0.93
PRLPROFLAVINA,B,D,E1QVT0.93
PRLPROFLAVINA,B2KD40.93
PRLPROFLAVINA1QVU0.93
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.72
2AQQUINOLIN-2-AMINEA2OHL0.86
5IQISOQUINOLIN-5-AMINEA,B2F2T0.81
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H		1W0C0.76
BRFA1UUO0.7
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.77
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.77
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.72
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.72
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE		A2BLC0.71
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE		A2BLB0.71
NCE3,6-Bis[(3-morpholinopropionamido)] acridineA,B3EM20.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.81
A1E(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE		A1ZGB0.75
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM		A1ZE80.72
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE		A1PY50.72
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.88
OA45-methyl-6-phenylquinazoline-2,4-
diamine		A2W6P0.78
TQ45-[(4-METHYLPHENYL)SULFANYL]-2,4-
QUINAZOLINEDIAMINE		A,B1IA20.71
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.75
DEQDEQUALINIUMA,B,D,E1JT60.83
DEQDEQUALINIUMA,B,D,E3BR20.83
DEQDEQUALINIUMA1OYD0.83
DEQDEQUALINIUMA,B,D,E3BT90.83
DEQDEQUALINIUMA,B,D,E3BTJ0.83
DEQDEQUALINIUMA,B,D,E3BR10.83
ISQISOQUINOLINEA1GDK0.8
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.71
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE		B1XRW0.78
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE		A2CMF0.83
TQ55-[4-TERT-BUTYLPHENYLSULFANYL]-
2,4-QUINAZOLINEDIAMINE		A,B1IA30.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.75
1SQISOQUINOLIN-1-AMINEA2OHK0.74
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM		A,B1N5R0.81
MQ0(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-
DIPHENYL-ALLYLIDENE)-AMINE		A,B,C3STD0.72
MGRMALACHITE GREENA,B3BQZ0.74
MGRMALACHITE GREENA1Q8N0.74
MGRMALACHITE GREENA,B3BR00.74
MGRMALACHITE GREENA,D,E3BTL0.74
MGRMALACHITE GREENA,B,D,E3BTC0.74
MGRMALACHITE GREENA,B,D,E1JUP0.74
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA		A,B1PWP0.8
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.85
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.7
QNC2-CARBONYLQUINOLINEA,B1MTB0.8
QNC2-CARBONYLQUINOLINEA,B2FGV0.8
QNC2-CARBONYLQUINOLINEI1IVQ0.8
QNC2-CARBONYLQUINOLINEA,B2FGU0.8
QNC2-CARBONYLQUINOLINEA1JLD0.8
QNC2-CARBONYLQUINOLINEA,B1HXB0.8
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.72
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE		A,B1L1H0.77
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine		B2JWQ0.82
UNN(6,7-DIFLUORO-QUINAZOLIN-4-YL)-
(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE		A,B,C5STD0.71
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.76
N8TN-[8-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-
9-AMINE		A2CEK0.76
LG13,11-DIFLUORO-6,8,13-TRIMETHYL-
8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM		A,B,D1NZM0.78
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T		1UW60.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.73
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL		A1OZ10.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.74
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.74
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.74
PHN1,10-PHENANTHROLINEA1LIH0.83
PHN1,10-PHENANTHROLINEA2LIG0.83
PHN1,10-PHENANTHROLINEA,B2FU70.83
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE		A1CET0.73
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.81
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.73
2MI2-METHYL-1H-INDOLEA2PIO0.8
CVICRYSTAL VIOLETA,B,D,E1JTX0.74
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.7
2862-ethenyl-1-methylpyridiniumX2RC20.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.74
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.74
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.76
DCUA,B1J070.8
NC53-[(2R)-2-ethylpiperidin-1-yl]-
N-[6-({3-[(2S)-2-ethylpiperidin-
1-yl]propanoyl}amino)acridin-3-
yl]propanamide		A,B,C,D3EUI0.75
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
NCQ3,6-Bis[3-(azepan-1-yl)propionamido]acridineA,B3EUM0.77
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.72
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE		A,B2HWO0.71
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.7
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C1KQG0.74
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,D,E,F2VR00.74
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,M,N,O,P1KF60.74
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.78
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.85
RW14-phenylpyrimidineA,B,C3B9S0.71
A2E(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE		A,B1ZGC0.75
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE		A2GJB0.82
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.77
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.8
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.73
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.73